1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(3-bromo-4-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(3-bromo-4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(3-bromo-4-methoxy-phenyl)sulfonyl-piperazine Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C18H21BrN2O3S/c1-24-18-8-7-16(13-17(18)19)25(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3